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In the crystal structure of the title compound, C19H17Cl2N3O2, the molecules form dimers of the R22(10) type through N—HO hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70 (13) and 64.82 (12)°, respectively. The dihedral angle between the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45 (5)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33 (6)°.
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In the title compound, C19H17Cl2N3O2, the amide group is planar and, through N—HO hydrogen bonding to an adjoining molecule, forms dimers of the R22(10) type. As a result of steric repulsion, the amide group is rotated with respect to both the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 71.63 (11) and 57.93 (10)°, respectively. The dihedral angle between the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 76.60 (10)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 49.29 (7)°. The crystal structure also features weak C—HO interactions.
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In the title compound, C10H8ClN3S, the dihedral angle between the mean planes of the benzene and imidazo[2,1-b][1,3,4]thiadiazole rings is 6.0 (9)°. In the crystal, molecules are assembled by the formation of centrosymmetric dimers by π-stacking of the thiadiazole and benzene rings of neighboring molecules [centroid–centroid distance = 3.6938 (11) Å] along [010].
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In the title compound, C11H10INO3, an addition product of itaconic acid anhydride and 4-iodoaniline, the least-squares planes defined by the atoms of the aromatic moiety and the non-H atoms of the carboxylic acid group enclose an angle of 74.82 (11)°. In the crystal, classical O—HO hydrogen bonds formed by carboxylic groups, as well as N—HO hydrogen bonds formed by amide groups, are present along with C—HO contacts. Together, these connect the molecules into dimeric chains along the b-axis direction.
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In the title compound, C25H23N3O2, the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71 (2):0.29 (2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6 (3) and 352.0 (6)/349.5 (15)°. In the crystal, molecules are packed into layers parallel to the ac plane. The other monoclinic polymorphic form was reported recently [Dutkiewicz et al. (2012). Acta Cryst. E68, o1324].
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In the title picrate salt of a dihalogenated aniline derivative, C6H6ClF+·C6H2N3O7−, the intracyclic C—C—C angles in the picrate anion cover a broad range [111.95 (12)–125.38 (13)°], while those in the aromatic cation span a much narrower range [118.25 (14)–122.33 (13)°]. In the crystal, classical N—HO hydrogen bonds, as well as C—HO contacts, connect the ions into layers parallel to (001).
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In the title salt, C26H27F2N2+·C4H5O4−, the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connected via short O—HO hydrogen bonds between the carboxylic acid and carboxylate groups into undulating chains extending along [001] and the flunarizinium monocations are attached to these chains via N+—HO− hydrogen bonds. C—HO interactions connect these chains into a three-dimensional network. The shortest centroid–centroid distance of 3.7256 (10) Å was found between one of the fluorinated benzene rings and the non-fluorinated phenyl ring in the neighbouring molecule related by a glide plane.
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In the title compound, C19H17Cl2N3O2, there are three molecules (A, B and C) in the asymmetric unit and each differs in the conformation adopted. As a result of steric repulsion, the amide group is rotated with respect to both the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 44.5 (2) and 56.2 (2)°, respectively in A, 51.1 (2) and 54.1 (2)° in B, and 53.8 (2) and 54.6 (2)° in C. The dihedral angles between the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings are 54.8 (2), 76.2 (2) and 77.5 (2)° in molecules A, B and C, respectively, while the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings make dihedral angles of 45.3 (2), 51.2 (2) and 42.8 (2)°, respectively. In the crystal, two of the molecules are linked through N—HO hydrogen bonding to an adjoining molecule, forming dimers of the R22(10) type, while the third molecule forms such dimers with itself. C—HO interactions link the dimers.
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In the title compound, C16H15FN2O, the dihedral angles between the benzene rings are74.7(8), 74.1 (1), 74.2 (7) and 74.3 (5)° in the four independent molecules in the asymmetric unit. In the crystal, N-H-O hydrogen bonds involving the hydrazide and acetyl groups, which form R22(18) ring motifs, link the molecules into dimers, which form columns along [010].
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A new polymorph of the title compound, C8H8BrNO, has been determined at 173 K in the space group P21/c. The previous room-temperature structure was reported to crystallize in the orthorhombic space group Pna21 [Andreetti et al. (1968). Acta Cryst. B24, 1195–1198]. In the crystal, molecules are linked by N—HO hydrogen bonds forming chains along [010]. Weak C—Hπ interactions are also present.
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In the title compound, C11H8Cl2N2OS, the mean plane of the dichlorophenyl ring is twisted by 79.7 (7)° from that of the thiazole ring. In the crystal, molecules are linked via pairs of N—HN hydrogen bonds, forming inversion dimers which stack along the a-axis direction.
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The molecule of the title compound, C12H14N4O, is roughly planar, with a dihedral angle of 8.0 (8)° between the benzene and pyrazole rings, and an intramolecular N—HO hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked into an inversion dimer by a pair of N—HO hydrogen bonds, which form an R22(8) ring motif.
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In the title compound, C11H8Cl2N2OS, the mean plane of the dichlorophenyl ring is twisted by 61.8 (1)° from that of the thiazole ring. In the crystal, molecules are linked via pairs of N—HN hydrogen bonds with an R22(8) graph-set motif, forming inversion dimers which stack along the a-axis direction.
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In the title compound, C11H8Cl2N2OS, the mean plane of the dichlorophenyl ring is twisted by 72.4 (1)° from that of the thiazole ring. In the crystal, molecules are linked via pairs of N—HN hydrogen bonds with an R22(8) graph-set motif and weak C—HO interactions, forming inversion dimers which stack along the c-axis direction.
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Three independent molecules comprise the asymmetric unit of the title compound, C8H9NO2, in which the dihedral angles between the amide group and the benzene ring are 3.0 (2), 4.0 (3) and 3.3 (9)°. In the crystal, O—HO hydrogen bonds and weak C—HN interactions are observed, forming infinite chains along [101].
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In the title compound, C15H10ClNO3, a substituted chalcone, the dihedral angle between the benzene rings is 5.1 (7)°. The nitro group makes a dihedral angle of 12.5 (3)° with the benzene ring to which it is attached. In the crystal, weak C—HO interactions link the molecules into a one-dimensional array along [010]. The crystal studied was an inversion twin, with a refined ratio for the twin components of 0.6060 (9):0.3939 (1).
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In the title compound, C12H10BrN3O, the dihedral angle between the mean planes of the 4-bromophenyl and pyrazin-2-yl rings is 54.6 (3)°. An intramolecular C—HO hydrogen bond generates an S(6) graph-set motif. In the crystal, weak N—HN hydrogen bonds link the molecules into chains along [100]. The chains are linked via C—HN and C—HO hydrogen bonds, forming two-dimensional networks lying parallel to the ab plane.
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In the title compound, C14H10BrF2NO, the dihedral angle between the mean planes of the 4-bromophenyl and 3,4-difluorophenyl rings is 66.4 (1)°. These two planes are twisted by 40.0 (5) and 86.3 (2)°, respectively, from that of the acetamide group. In the crystal, N—HO hydrogen bonds and weak C—HO and C—HF interactions form infinite chains along [100].
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In the title compound, C14H10ClF2NO, the dihedral angle between the mean planes of the 4-chlorophenyl and 3,4-difluorophenyl rings is 65.2 (1)°. These two planes are twisted by 83.5 (5) and 38.9 (9)°, respectively, from that of the acetamide group. In the crystal, N—HO hydrogen bonds form infinite chains along [100]. Weak C—HO and C—HF interactions are also observed and stack molecules along the b axis.
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In the title compound, C21H19BrFNO2, two independent molecules crystallize in the asymmetric unit. The cyclohexa-1,3-diene ring is in a slightly distorted screw-boat conformation. The dihedral angles between the mean planes of the 4-bromophenyl and 4-fluorophenyl rings are 81.0 (3) and 76.4 (2)° in the two independent molecules. In the crystal, N—HO hydrogen bonds link the molecules into [100] chains.
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The title compound, C9H8N2OS, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angles between the mean planes of the 1,3-benzothiazol-2-yl ring system and the acetamide group are 2.7 (4) (molecule A) and 7.2 (2) Å (molecule B). In the crystal, pairs of N—HN hydrogen bonds link the A and B molecules into dimers, generating R22(8) loops. The dimers stack along [100].
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The title compound, C19H19N3O2, crystallizes with two independent molecules (A and B) in the asymmetric unit. In molecule A, the pyrazole ring adopts a slightly disordered half-chair conformation while in B it is planar [r.m.s. deviation = 0.0386 (15) Å]. The dihedral angle between the mean planes of the two phenyl rings is 56.2 (8) in A and 38.2 (3)° in B. The N-phenyl substituent on the pyrazole ring is twisted by 46.5 (2) in A and 58.6 (4)° in B while the extended phenyl ring is twisted by 82.2 (8) in A and 87.5 (9)° in B. The mean plane of the amide group forms an angle of 74.8 (3) in A and 67.7 (1)° in B with respect to the phenyl ring. In addition, the amide group is rotated by 51.4 (1) in A and 53.6 (2)° in B from the the mean plane of the pyrazole ring. In the crystal, the two molecules are linked via N—HO hydrogen bonds, supported by weak C—HO interactions, forming dimers enclosing an R22(10) ring motif. The dimers are linked via C—HO interactions, forming a three-dimensional structure.
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The title compound, C12H12FNO3, crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methylphenyl ring and the oxoamine group is 25.7 (7)° in molecule A and 71.3 (7)° in molecule B, while the mean plane of the 2-methylidene-4-oxobutanoic acid group is twisted by 76.2 (1)° from that of the oxoamine group in molecule A and by 76.2 (4)° in molecule B. In the crystal, N—HO and O—HO hydrogen bonds [the latter forming an R22(8) graph-set motif] link the molecules into a two-dimensional network parallel to the ac plane.
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The asymmetric unit of the title compound, C21H18ClFO3, contains two independent molecules. In one molecule (A), the 4-chlorophenyl, oxocyclohex-3-ene, carboxylate, and ethyl groups were refined as disordered over two sets of sites with a 0.684 (5):0.316 (5) ratio. The cyclohexene ring in the disordered molecule is in a slightly distorted envelope conformation for the major component (with the C atom bound to the carboxylate group being the flap atom) and in a screw-boat conformation for the minor component. In the ordered molecule (B), the cyclohexene ring is in a half-chair conformation. The dihedral angles between the mean planes of the fluoro- and chloro-substituted benzene rings are 89.9 (7) (only the major component is considered for A) and 76.4 (7)° (B). In the crystal, inversion dimers are observed along with weak C—HO hydrogen bonds, which form chains along [100].